4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridine-3-carbaldehyde

C8H7F2NO2 — CID 118812647

IUPAC4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridine-3-carbaldehyde
SMILESCc1[nH]c(=O)cc(C(F)F)c1C=O
InChIInChI=1S/C8H7F2NO2/c1-4-6(3-12)5(8(9)10)2-7(13)11-4/h2-3,8H,1H3,(H,11,13)
InChIKeyUSFWWOUSAZOHIA-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.43
Rot. Bonds2

About 4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridine-3-carbaldehyde

4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 118812647) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridine-3-carbaldehyde
PubChem CID118812647
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridine-3-carbaldehyde
SMILESCc1[nH]c(=O)cc(C(F)F)c1C=O
InChIInChI=1S/C8H7F2NO2/c1-4-6(3-12)5(8(9)10)2-7(13)11-4/h2-3,8H,1H3,(H,11,13)
InChIKeyUSFWWOUSAZOHIA-UHFFFAOYSA-N
XLogP1.43
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-6-oxo-1,6-dihydropyridine-3-carbaldehyde
CID 86695785
6-Hydroxy-4-(trifluoromethyl)picolinaldehyde
CID 57557587
2-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 145360219
4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 166536053
4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one;ethane
CID 172279065
4-methyl-5,6-bis(trifluoromethyl)-1H-pyridin-2-one
CID 173378863
4,5-dimethyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 173378908
2-Hydroxy-6-(trifluoromethyl)isonicotinaldehyde
CID 72212955
6-Hydroxy-2-(trifluoromethyl)nicotinaldehyde
CID 118704370
4-(Difluoromethyl)-6-hydroxy-2-(trifluoromethyl)nicotinaldehyde
CID 118800385
4-Amino-3-(difluoromethyl)-6-hydroxypicolinaldehyde
CID 118800888
4-(Difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridin-2-ol
CID 118801577

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridine-3-carbaldehyde (CID 118812647) is 4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridine-3-carbaldehyde is Cc1[nH]c(=O)cc(C(F)F)c1C=O.
What is the InChIKey of 4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is USFWWOUSAZOHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-4-6(3-12)5(8(9)10)2-7(13)11-4/h2-3,8H,1H3,(H,11,13).
What are the key properties of 4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridine-3-carbaldehyde?
4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 187.15 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118812647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).